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1000018 58 5 | Cheminformatics

Chemical : 3,5-Dibromo-2-chloro-6-methylpyridine

Casrn : 1000018-58-5

MolName : 3,5-Dibromo-2-chloro-6-methylpyridine

MolecularFormula : C6H4NBr2Cl

Smiles : Cc(c(Br)c1)nc(Cl)c1Br

InChI : InChI=1S/C6H4Br2ClN/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3

InChIK : AYZAQZJMQIXSLF-UHFFFAOYSA-N

CanonicalSyTyLFy : 59ef46ecd0cd27e0

TotalMolweight : 285.366

Molweight : 285.366

MonoisotopicMass : 282.839898

CLogP : 3.2104

CLogS : -3.356

H Acceptors : 1

TotalSurfaceArea : 136.96

Relative PSA : 0.080096

PolarSurfaceArea : 12.89

Druglikeness : -3.6

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : polyhalo aromatic ring

Shape Index : 0.6

Molecular Complexity : 0.73271

Fragments : 1

Non HAtoms : 10

NonCHAtoms : 4

Electronegative Atoms : 4

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 1

Aromatic Nitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100011-00-5nonenonenoneC15H24O2236.354-18.044
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100010-99-9nonenonenoneC11H24O2188.31-23.185
1000339-31-0nonenonehighC12H16NCl209.7190.65299
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100021-05-4nonenonenoneC21H28O2312.4510.95307
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
100-68-5nonenonenoneC7H8S124.207-1.735
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
100-92-5nonenonenoneC11H17N163.2631.1672
100007-62-3nonenonehighC8H13NO139.197-8.1398
100-62-9lownonenoneC7H7N105.14-1.1924
10003-67-5nonenonenoneC33H62O6554.849-22.973
100-87-8nonenonenoneC7H8O3S172.204-10.732
100033-28-1lownonehighC6H9N7179.186-2.3035
100-69-6nonenonenoneC7H7N105.14-4.4598
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
1000-82-4lowhighhighC2H6N2O290.08160.41759
100-46-9nonenonenoneC7H9N107.155-2.0712
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000-57-3highnonelowC6H16SSn238.969-7.4261
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100-82-3nonenonenoneC7H8NF125.146-3.4112
100-10-7nonehighhighC9H11NO149.192-1.8715
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100-64-1highhighnoneC6H11NO113.159-6.4182
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
1000269-68-0nonenonenoneC14H24N4248.3730.99367
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
10002-30-9nonenonenoneC12H9NOS215.2750.083087
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100-51-6highhighhighC7H8O108.14-2.2456
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
100-26-5nonenonenoneC7H5NO4167.12-1.5746
100018-96-0highhighnoneC20H39O2I438.428-31.232
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100-12-9nonenonenoneC8H9NO2151.164-7.7443
10001-30-6nonenonenoneC17H14O4282.294-0.8408
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100-93-6highhighhighC19H18N2O2S338.43-12.848